CID 332009

79253-78-4

Structural Information

Molecular Formula
C10H10O5S
SMILES
CC1(C2=CC=CC=C2S(=O)(=O)O1)C(=O)OC
InChI
InChI=1S/C10H10O5S/c1-10(9(11)14-2)7-5-3-4-6-8(7)16(12,13)15-10/h3-6H,1-2H3
InChIKey
QMFREQKSBRDOOS-UHFFFAOYSA-N
Compound name
methyl 3-methyl-1,1-dioxo-2,1lambda6-benzoxathiole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.02489 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03217 144.3
[M+Na]+ 265.01411 155.6
[M-H]- 241.01761 150.6
[M+NH4]+ 260.05871 168.1
[M+K]+ 280.98805 155.2
[M+H-H2O]+ 225.02215 141.3
[M+HCOO]- 287.02309 162.4
[M+CH3COO]- 301.03874 185.6
[M+Na-2H]- 262.99956 151.0
[M]+ 242.02434 151.9
[M]- 242.02544 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.